5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide

C26H23Cl2FN6O2 — CID 134278111

IUPAC5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)c3nccnc3c2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C26H23Cl2FN6O2/c1-14-22(24(28)34(2)33-14)25(36)32-20-7-10-35(13-18(20)15-3-5-17(29)6-4-15)26(37)16-11-19(27)23-21(12-16)30-8-9-31-23/h3-6,8-9,11-12,18,20H,7,10,13H2,1-2H3,(H,32,36)/t18-,20-/m1/s1
InChIKeyOQMOGEXHHHOQAP-UYAOXDASSA-N
MW541.41 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 134278111) has the molecular formula C26H23Cl2FN6O2 and a molecular weight of 541.41 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID134278111
Molecular FormulaC26H23Cl2FN6O2
Molecular Weight541.41 g/mol
Exact Mass540.12
IUPAC Name5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)c3nccnc3c2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C26H23Cl2FN6O2/c1-14-22(24(28)34(2)33-14)25(36)32-20-7-10-35(13-18(20)15-3-5-17(29)6-4-15)26(37)16-11-19(27)23-21(12-16)30-8-9-31-23/h3-6,8-9,11-12,18,20H,7,10,13H2,1-2H3,(H,32,36)/t18-,20-/m1/s1
InChIKeyOQMOGEXHHHOQAP-UYAOXDASSA-N
XLogP4.55
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 134278322
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 134278855
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 134607378
6-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]pyridine-3-carboxamide
CID 134278521
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-cyclohexa-2,4-dien-1-ylpiperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 135135593
N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134278487
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278367
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-(4-fluorophenyl)piperidin-4-yl]benzamide
CID 134278213
2-chloro-N-[(3S,4R)-1-(5-chloro-6-methoxypyridine-3-carbonyl)-3-phenylpiperidin-4-yl]benzamide
CID 134279035
5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 134278412
2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
CID 134278239
2-chloro-N-[(3R,4S)-1-(3,4-dimethoxybenzoyl)-3-(2-methylpyrazol-3-yl)piperidin-4-yl]benzamide
CID 134278472

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 134278111) is 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)c3nccnc3c2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is OQMOGEXHHHOQAP-UYAOXDASSA-N. The full InChI is InChI=1S/C26H23Cl2FN6O2/c1-14-22(24(28)34(2)33-14)25(36)32-20-7-10-35(13-18(20)15-3-5-17(29)6-4-15)26(37)16-11-19(27)23-21(12-16)30-8-9-31-23/h3-6,8-9,11-12,18,20H,7,10,13H2,1-2H3,(H,32,36)/t18-,20-/m1/s1.
What are the key properties of 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 541.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 134278111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).